#MD System 2.0 @Title neb0_image08 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.225923436619 0.524611053948 0.345593114294} C1 1 1 14 {} {0.278512250648 0.486901414645 0.303820832212} Si1 2 1 14 {} {0.180248474838 0.533808755204 0.265501847912} Si2 3 1 8 {} {0.293160521868 0.516745886222 0.20528490831} O1 4 1 8 {} {0.310672076716 0.514063915825 0.385288067026} O2 5 1 6 {} {0.279779826525 0.393770807987 0.298922158519} C2 6 1 6 {} {0.149697305794 0.453495916726 0.247375031412} C3 7 1 8 {} {0.205487335029 0.561208255962 0.1729547515} O3 8 1 8 {} {0.144988354076 0.593926867452 0.294866847665} O4 9 1 14 {} {0.363990830536 0.532642101424 0.378733690117} Si3 10 1 7 {} {0.39511410886 0.460889238291 0.403325332209} N1 11 1 14 {} {0.441639360705 0.466314726023 0.334445115954} Si4 12 1 14 {} {0.383651697932 0.41503165154 0.502607250504} Si5 13 1 7 {} {0.358153774734 0.456770745205 0.588683208246} N2 14 1 7 {} {0.436595156556 0.552766092263 0.294300096203} N3 15 1 1 {} {0.216057406861 0.496106045179 0.405099167484} H1 16 1 1 {} {0.236400989635 0.57439147988 0.36926724534} H2 17 1 1 {} {0.269097467219 0.540681502606 0.174907656252} H3 18 1 1 {} {0.27446580114 0.370577186859 0.364648846427} H4 19 1 1 {} {0.311612148431 0.374901809412 0.272245684911} H5 20 1 1 {} {0.25322853108 0.376498773609 0.253635601886} H6 21 1 1 {} {0.123180446772 0.459794112565 0.197570330219} H7 22 1 1 {} {0.134256587529 0.436753128628 0.31023296803} H8 23 1 1 {} {0.171841274959 0.413035267835 0.224561421917} H9 24 1 1 {} {0.186625466607 0.582813191052 0.128457018858} H10 25 1 1 {} {0.116951731247 0.579307435111 0.320930917915} H11 26 1 1 {} {0.371300677866 0.55321724474 0.283413031722} H12 27 1 1 {} {0.373903916685 0.589850582028 0.439126895184} H13 28 1 1 {} {0.482790936596 0.460487226366 0.390604442621} H14 29 1 1 {} {0.445819884562 0.407957499225 0.26187446836} H15 30 1 1 {} {0.352694205136 0.361148346516 0.478827273254} H16 31 1 1 {} {0.425021141476 0.386994096666 0.54184681678} H17 32 1 1 {} {0.326593459034 0.473908227494 0.582538884994} H18 33 1 1 {} {0.373927844936 0.486483310416 0.633854832273} H19 34 1 1 {} {0.462115116189 0.578197163339 0.314737308329} H20 35 1 1 {} {0.407495867513 0.590900721175 0.303715145123} H21 36 1 6 {} {0.657292176998 0.647253555174 0.467069189448} C4 37 1 14 {} {0.611932209395 0.57877644243 0.441507653098} Si6 38 1 14 {} {0.638769330139 0.731963882025 0.419605855744} Si7 39 1 8 {} {0.582291769749 0.593166117498 0.348804293545} O5 40 1 8 {} {0.632487907968 0.501830244357 0.442476095263} O6 41 1 6 {} {0.571693487986 0.579768136506 0.534893605558} C5 42 1 6 {} {0.585546560872 0.774885258445 0.464531323403} C6 43 1 8 {} {0.62993205749 0.719603288312 0.31035473685} O7 44 1 8 {} {0.679531242071 0.788447238394 0.429084947538} O8 45 1 14 {} {0.62774138271 0.422965215981 0.415538082955} Si8 46 1 7 {} {0.578913290037 0.376399460357 0.434051100953} N4 47 1 14 {} {0.558539486877 0.324278822965 0.345862809819} Si9 48 1 14 {} {0.554736477862 0.36822773595 0.54029974095} Si10 49 1 7 {} {0.591439517209 0.385752796497 0.627224204673} N5 50 1 7 {} {0.592481451608 0.260987267568 0.306064976274} N6 51 1 1 {} {0.65097944779 0.651638145452 0.539692488524} H22 52 1 1 {} {0.693903414931 0.648876313963 0.46962909075} H23 53 1 1 {} {0.593396202767 0.62328156496 0.301400667097} H24 54 1 1 {} {0.582661720631 0.608294326344 0.590927983167} H25 55 1 1 {} {0.563227985724 0.528198744761 0.561589873779} H26 56 1 1 {} {0.539230362531 0.594754866366 0.507166183268} H27 57 1 1 {} {0.58313420663 0.825434977196 0.434868561804} H28 58 1 1 {} {0.585378670457 0.783008985381 0.536986149258} H29 59 1 1 {} {0.55305725654 0.751613131572 0.44850951068} H30 60 1 1 {} {0.632745981358 0.755285206898 0.267711813051} H31 61 1 1 {} {0.680185495583 0.813619627515 0.482501599692} H32 62 1 1 {} {0.634789872422 0.415678040505 0.317137354956} H33 63 1 1 {} {0.664937021764 0.39540787485 0.468267600295} H34 64 1 1 {} {0.516731967614 0.291189062021 0.377616034538} H35 65 1 1 {} {0.549575809611 0.366708177798 0.265398415312} H36 66 1 1 {} {0.518712402861 0.417655100864 0.55705844619} H37 67 1 1 {} {0.536613887477 0.298629840362 0.550772170661} H38 68 1 1 {} {0.595140752268 0.434648539404 0.6438998687} H39 69 1 1 {} {0.619105465609 0.358920159031 0.642336155156} H40 70 1 1 {} {0.616600735365 0.271706167885 0.260758235921} H41 71 1 1 {} {0.601245475356 0.221496854381 0.344412945644} H42 72 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end